{"id":38498,"date":"2018-03-09T09:38:05","date_gmt":"2018-03-09T09:38:05","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/interacciones-intermoleculares-en-fase-gas-aproximacion-teorica-al-estudio-de-sistemas-moleculares-que-contienen-nitrogeno\/"},"modified":"2018-03-09T09:38:05","modified_gmt":"2018-03-09T09:38:05","slug":"interacciones-intermoleculares-en-fase-gas-aproximacion-teorica-al-estudio-de-sistemas-moleculares-que-contienen-nitrogeno","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/interacciones-intermoleculares-en-fase-gas-aproximacion-teorica-al-estudio-de-sistemas-moleculares-que-contienen-nitrogeno\/","title":{"rendered":"Interacciones intermoleculares en fase gas. aproximacion teorica al estudio de sistemas moleculares que contienen nitrogeno."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Enrique Manuel Cabaleiro Lago <\/strong><\/h2>\n<p>Se han desarrollado funciones de potencial anal\u00edticas que describen con propiedad las caracter\u00edsticas de la interacci\u00f3n entre mol\u00e9culas en diversos complejos de van der waals. El procedimiento utilizado parte de la utilizaci\u00f3n de un m\u00e9todo perturbacional que permite obtener la energ\u00eda de interacci\u00f3n de un sistema formado por dos mol\u00e9culas como una suma de t\u00e9rminos que presentan un claro significado f\u00edsico (energ\u00eda electrost\u00e1tica, de inducci\u00f3n, de repulsi\u00f3n y de dispersi\u00f3n). Cada uno de estos t\u00e9rminos es representado por una funci\u00f3n anal\u00edtica que depende de propiedades moleculares (multipolos u polarizabilidades), excepto en el caso de la repulsi\u00f3n, que se obtiene mediante un procedimiento de ajuste.  las funciones desarrolladas para los d\u00edmeros de acetonitrilo, cianuro de hidr\u00f3geno, cianoacetileno, hidroxilamina y formamida han sido aplicadas al estudio de agregados de mayor tama\u00f1o, y los resultados se han comparado con los obtenidos mediante m\u00e9todos ab initio.  las funciones de potencial producen resultados de calidad similar a los c\u00e1lculos ab initio de mayor nivel en todos los sistemas estudiados, mostrando que el procedimiento utilizado puede ser una muy buena opci\u00f3n para construir funciones de potencial que permitan el estudio de la interacci\u00f3n en agregados moleculares de mayor tama\u00f1o.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Interacciones intermoleculares en fase gas. aproximacion teorica al estudio de sistemas moleculares que contienen nitrogeno.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Interacciones intermoleculares en fase gas. aproximacion teorica al estudio de sistemas moleculares que contienen nitrogeno. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Enrique Manuel Cabaleiro Lago <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Santiago de compostela<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 22\/07\/1998<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h3>Direcci\u00f3n y tribunal<\/h3>\n<ul>\n<li><strong>Director de la tesis<\/strong>\n<ul>\n<li>Miguel Angel Rios Fern\u00e1ndez<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: manuel Ya\u00f1ez montero <\/li>\n<li>ricardo Mosquera castro (vocal)<\/li>\n<li>otilia Mo romero (vocal)<\/li>\n<li>Jos\u00e9 Molina molina (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Enrique Manuel Cabaleiro Lago Se han desarrollado funciones de potencial anal\u00edticas que describen con propiedad las caracter\u00edsticas [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center 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